6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)

C132H137Cl4N35O9 — CID 157126412

About 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)

6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one) (PubChem CID 157126412) has the molecular formula C132H137Cl4N35O9 and a molecular weight of 2499.60 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one).

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)
• PubChem CID: 157126412
• Molecular Formula: C132H137Cl4N35O9
• Molecular Weight: 2499.60 g/mol
• Exact Mass: 2496.01
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)
• SMILES: C=C1C=NN(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1C=NN(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc4c(C(C)C)c[nH]c4nn3)c(Cl)c2)N=C1N
• InChI: InChI=1S/C24H24N6O.C23H26N6O.2C23H25N5O.C20H20Cl2N6O3.C19H17Cl2N7O2/c1-13(2)23-20-11-17(6-7-21(20)27-28-23)10-19-14(3)8-18(9-15(19)4)30-24(31)26-16(5)22(12-25)29-30;1-12(2)19-11-25-20-7-6-16(27-21(19)20)10-18-13(3)8-17(9-14(18)4)29-23(30)26-15(5)22(24)28-29;2*1-13(2)20-12-24-21-7-6-17(27-22(20)21)10-19-14(3)8-18(9-15(19)4)28-23(29)26-16(5)11-25-28;1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-16-9-13(19(29)26-25-16)11-5-3-2-4-6-11;1-8(2)12-7-23-18-11(12)6-15(25-26-18)30-16-13(20)4-10(5-14(16)21)28-19(29)24-9(3)17(22)27-28/h6-9,11,13H,5,10H2,1-4H3,(H,26,31)(H,27,28);6-9,11-12,25H,5,10H2,1-4H3,(H2,24,28)(H,26,30);2*6-9,11-13,24H,5,10H2,1-4H3,(H,26,29);7-9,11H,1-6H2,(H2,23,27)(H,24,30)(H,26,29);4-8H,3H2,1-2H3,(H2,22,27)(H,23,26)(H,24,29)
• InChIKey: AIOBHKMVEQTVFB-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 590.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.60
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one) (CID 157126412) is 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one).

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one) is C=C1C=NN(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1C=NN(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc4c(C(C)C)c[nH]c4nn3)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)?

The InChIKey is AIOBHKMVEQTVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O.C23H26N6O.2C23H25N5O.C20H20Cl2N6O3.C19H17Cl2N7O2/c1-13(2)23-20-11-17(6-7-21(20)27-28-23)10-19-14(3)8-18(9-15(19)4)30-24(31)26-16(5)22(12-25)29-30;1-12(2)19-11-25-20-7-6-16(27-21(19)20)10-18-13(3)8-17(9-14(18)4)29-23(30)26-15(5)22(24)28-29;2*1-13(2)20-12-24-21-7-6-17(27-22(20)21)10-19-14(3)8-18(9-15(19)4)28-23(29)26-16(5)11-25-28;1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-16-9-13(19(29)26-25-16)11-5-3-2-4-6-11;1-8(2)12-7-23-18-11(12)6-15(25-26-18)30-16-13(20)4-10(5-14(16)21)28-19(29)24-9(3)17(22)27-28/h6-9,11,13H,5,10H2,1-4H3,(H,26,31)(H,27,28);6-9,11-12,25H,5,10H2,1-4H3,(H2,24,28)(H,26,30);2*6-9,11-13,24H,5,10H2,1-4H3,(H,26,29);7-9,11H,1-6H2,(H2,23,27)(H,24,30)(H,26,29);4-8H,3H2,1-2H3,(H2,22,27)(H,23,26)(H,24,29).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)?

6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one) has a molecular weight of 2499.60 g/mol, XLogP of 27.60, 24 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one) is sourced from PubChem (CID 157126412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).